SCHEMBL5772996

SCHEMBL5772996

CCC(CC)(c1ccc(NC(=O)CCc2cnoc2-c2ccc(SC)cc2)cc1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
TP53 P04637 6/20 0.36
LMNA P02545 6/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
PTGS2 P35354 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KLF5 Q13887 1/20 0.34
PANK1 Q8TE04 1/20 0.34
PANK3 Q9H999 1/20 0.34
MEN1 O00255 3/20 0.33
MAPK1 P28482 3/20 0.33
TSHR P16473 1/20 0.33
GMNN O75496 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5775864 0.89 SMN1; SMN2 (0.47) MAPTSMN1; SMN2TP53LMNAKMT2A
SCHEMBL5777446 0.89 MEN1 (0.41) MAPTSMN1; SMN2TP53LMNAKMT2A
SCHEMBL5771355 0.89 MAPT (0.39) MAPTSMN1; SMN2TP53LMNAKMT2A
SCHEMBL5777020 0.89 MAPT (0.42) MAPTSMN1; SMN2TP53LMNAKMT2A
SCHEMBL5771724 0.89 MAPT (0.41) MAPTSMN1; SMN2TP53LMNAKMT2A
SCHEMBL5776170 0.87 PTPN1 (0.36) MAPTSMN1; SMN2TP53LMNAKMT2A
SCHEMBL5773482 0.86 MAPT (0.40) MAPTSMN1; SMN2TP53LMNAKMT2A
SCHEMBL5776209 0.86 MAPT (0.35) MAPTSMN1; SMN2TP53LMNAKMT2A
SCHEMBL5777091 0.85 MAPT (0.43) MAPTSMN1; SMN2TP53LMNAKMT2A
SCHEMBL5773239 0.85 MAPT (0.37) MAPTSMN1; SMN2TP53LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR MAPT 4701/4885SMN1; SMN2 3383/4885TP53 4371/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885SMN1; SMN2 2449/4885TP53 4446/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.